Information card for entry 7718399

Structure parameters

• Formula: C34 H33 B Fe N3 O P
• Calculated formula: C34 H33 B Fe N3 O P
• Title of publication: Changing the properties of monodentate and P,C-chelating ferrocenyl-substituted 1,2,3-triazol-5-ylidene ligands through an inserted carbonyl moiety.
• Authors of publication: Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 6563 - 6575
• a: 17.7954 ± 0.0004 Å
• b: 11.9108 ± 0.0003 Å
• c: 28.6233 ± 0.0008 Å
• α: 90°
• β: 98.646 ± 0.001°
• γ: 90°
• Cell volume: 5998 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No